ethyl 1-[[(2-azanyl-2-methyl-propanoyl)amino]-(3-phenylpropyl)carbamoyl]-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[(2-azanyl-2-methyl-propanoyl)amino]-(3-phenylpropyl)carbamoyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 1-[[(2-amino-2-methyl-propanoyl)amino]-(3-phenylpropyl)carbamoyl]-3-benzyl-piperidine-3-carboxylate CAS Name: 1-[[[(2-amino-2-methyl-1-oxopropyl)amino]-(3-phenylpropyl)amino]-oxomethyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(2-amino-2-methylpropanoyl)amino]-(3-phenylpropyl)carbamoyl]-3-benzylpiperidine-3-carboxylate Traditional Name: 1-[[(2-amino-2-methyl-propanoyl)amino]-(3-phenylpropyl)carbamoyl]-3-benzyl-nipecotic acid ethyl ester Formula: C29H40N4O4 MolecularWeight: 508.6523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)N(CCCC2=CC=CC=C2)NC(=O)C(C)(C)N)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)N(CCCC2=CC=CC=C2)NC(=O)C(C)(C)N)CC3=CC=CC=C3

InChI

InChI=1S/C29H40N4O4/c1-4-37-26(35)29(21-24-15-9-6-10-16-24)18-12-19-32(22-29)27(36)33(31-25(34)28(2,3)30)20-11-17-23-13-7-5-8-14-23/h5-10,13-16H,4,11-12,17-22,30H2,1-3H3,(H,31,34)