methyl 2-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]-5-(4-oxidanylbut-1-ynyl)benzoate

Systemtic Name: methyl 2-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]-5-(4-oxidanylbut-1-ynyl)benzoate Openeye Name: methyl 2-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]-5-(4-hydroxybut-1-ynyl)benzoate CAS Name: 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]-5-(4-hydroxybut-1-ynyl)benzoic acid methyl ester IUPAC Name: methyl 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-5-(4-hydroxybut-1-ynyl)benzoate Traditional Name: 2-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]-5-(4-hydroxybut-1-ynyl)benzoic acid methyl ester Formula: C31H33ClN2O4 MolecularWeight: 533.05772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33ClN2O4/c1-37-31(36)28-23-24(7-5-6-21-35)10-15-29(28)38-22-20-33-16-18-34(19-17-33)30(25-8-3-2-4-9-25)26-11-13-27(32)14-12-26/h2-4,8-15,23,30,35H,6,16-22H2,1H3/t30-/m1/s1