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

Systemtic Name: 3-[3-aminocarbonyl-4-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]phenyl]prop-2-ynyl-azanyl-carbamic acid Openeye Name: amino-[3-[3-carbamoyl-4-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]phenyl]prop-2-ynyl]carbamic acid CAS Name: amino-[3-[3-carbamoyl-4-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]phenyl]prop-2-ynyl]carbamic acid IUPAC Name: amino-[3-[3-carbamoyl-4-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]phenyl]prop-2-ynyl]carbamic acid Traditional Name: amino-[3-[3-carbamoyl-4-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]phenyl]prop-2-ynyl]carbamic acid Formula: C30H32ClN5O4 MolecularWeight: 562.05918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=C(C=C(C=C2)C#CCN(C(=O)O)N)C(=O)N)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CCOC2=C(C=C(C=C2)C#CCN(C(=O)O)N)C(=O)N)[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C30H32ClN5O4/c31-25-11-9-24(10-12-25)28(23-6-2-1-3-7-23)35-17-15-34(16-18-35)19-20-40-27-13-8-22(21-26(27)29(32)37)5-4-14-36(33)30(38)39/h1-3,6-13,21,28H,14-20,33H2,(H2,32,37)(H,38,39)/t28-/m1/s1