azanyl-[4-[4-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]-3-methoxycarbonyl-phenyl]but-3-ynyl]carbamic acid

Systemtic Name: azanyl-[4-[4-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]-3-methoxycarbonyl-phenyl]but-3-ynyl]carbamic acid Openeye Name: amino-[4-[4-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]-3-methoxycarbonyl-phenyl]but-3-ynyl]carbamic acid CAS Name: amino-[4-[4-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]-3-methoxycarbonylphenyl]but-3-ynyl]carbamic acid IUPAC Name: amino-[4-[4-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-3-methoxycarbonylphenyl]but-3-ynyl]carbamic acid Traditional Name: amino-[4-[3-carbomethoxy-4-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]phenyl]but-3-ynyl]carbamic acid Formula: C32H35ClN4O5 MolecularWeight: 591.0971

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C#CCCN(C(=O)O)N)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C#CCCN(C(=O)O)N)OCCN2CCN(CC2)[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C32H35ClN4O5/c1-41-31(38)28-23-24(7-5-6-16-37(34)32(39)40)10-15-29(28)42-22-21-35-17-19-36(20-18-35)30(25-8-3-2-4-9-25)26-11-13-27(33)14-12-26/h2-4,8-15,23,30H,6,16-22,34H2,1H3,(H,39,40)/t30-/m1/s1